ethyl 3-(4-tert-butylphenyl)-5-[(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)amino]-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 3-(4-tert-butylphenyl)-5-[(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)amino]-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(4-tert-butylphenyl)-5-[(2-cyano-3-ethoxy-3-oxo-prop-1-enyl)amino]-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-tert-butylphenyl)-5-[(2-cyano-3-ethoxy-3-oxoprop-1-enyl)amino]-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-tert-butylphenyl)-5-[(2-cyano-3-ethoxy-3-oxoprop-1-enyl)amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 3-(4-tert-butylphenyl)-5-[(2-cyano-3-ethoxy-3-keto-prop-1-enyl)amino]-4-keto-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C25H26N4O5S MolecularWeight: 494.56274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC=C(C#N)C(=O)OCC)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC=C(C#N)C(=O)OCC)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H26N4O5S/c1-6-33-23(31)15(12-26)13-27-21-19-18(14-35-21)20(24(32)34-7-2)28-29(22(19)30)17-10-8-16(9-11-17)25(3,4)5/h8-11,13-14,27H,6-7H2,1-5H3